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#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
#$Revision: 287555 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011237.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011237
loop_
_publ_author_name
'Graunar, M.'
'Lazarini, F.'
_publ_section_title
;
 Di-mu-hydroxo-bis[aquasulfatobismuth(III)]
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2879
_journal_page_last               2881
_journal_paper_doi               10.1107/S0567740882010188
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Bi H3 O6 S'
_chemical_name_mineral           Riomarinaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.94
_cell_angle_gamma                90
_cell_length_a                   6.021
_cell_length_b                   13.363
_cell_length_c                   6.495
_cell_volume                     481.250
_exptl_crystal_density_diffrn    4.694
_cell_formula_units_Z            4
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
       Water oxygen renamed so they are recognized as oxygens
                                  miguel
;
_cod_original_formula_sum        'Bi S O6 H3'
_cod_database_code               9011237
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.00780 0.00630 0.00550 -0.00050 0.00550 -0.00060
S 0.00500 0.01160 0.00400 0.00000 0.00210 0.00020
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.34600 0.37910 0.41240 0.00600
S 0.82290 0.16600 0.40850 0.00600
O1 0.69320 0.24280 0.46730 0.02100
O2 0.65150 0.10830 0.20270 0.01700
O3 0.02320 0.20440 0.36080 0.01900
O4 0.91650 0.09130 0.59620 0.01800
O5H 0.29420 0.54200 0.40410 0.01200
O6 0.93790 0.41460 0.14700 0.02100
_database_code_amcsd 0009781
